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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2003,Vol.19>> Issue(05)>> 460-463     doi: 10.3866/PKU.WHXB20030517         中文摘要
QSAR of [99Tcm(NO)Cl(PL)2] Complexes
Zhang Hua-Bei;Li Bo;Dai Mei
Department of Chemistry, Beijing Normal University, Beijing 100875
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The geometries of fifteen [99Tcm(NO)Cl(PL)2]+ complexes were optimized by semi-empirical quantum mechanics method——ZINDO/1 and many physical and chemical descriptors were obtained. Four equations were obtained by the multiple regressions between these drescriptors and heart intial uptake. New uptake mechanism of redox mechanism was revealed when analyzing these equations.

Keywords: ZINDO/1   Heart uptake   Uptake mechanism   Redox   QSAR(quantitive structure-activity relationship)  
Received: 2002-09-02 Accepted: 2002-11-05 Publication Date (Web): 2003-05-15
Corresponding Authors: Email: hbzh@public3.bta.net.cn


Cite this article: Zhang Hua-Bei;Li Bo;Dai Mei. QSAR of [99Tcm(NO)Cl(PL)2] Complexes[J]. Acta Phys. -Chim. Sin., 2003,19 (05): 460-463.    doi: 10.3866/PKU.WHXB20030517
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